3,5-difluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide

C15H16F2N4O2 — CID 146110385

IUPAC3,5-difluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide
SMILESO=C(N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1c(F)cncc1F
InChIInChI=1S/C15H16F2N4O2/c16-10-5-19-6-11(17)14(10)15(23)20-12-3-9(4-13(12)22)7-21-2-1-18-8-21/h1-2,5-6,8-9,12-13,22H,3-4,7H2,(H,20,23)/t9?,12-,13-/m1/s1
InChIKeyPRYULHPBROKYEE-VFVWQQSLSA-N
MW322.32 g/mol
LogP1.13
Rot. Bonds4

About 3,5-difluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide

3,5-difluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide (PubChem CID 146110385) has the molecular formula C15H16F2N4O2 and a molecular weight of 322.32 g/mol. Its IUPAC name is 3,5-difluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3,5-difluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide
PubChem CID146110385
Molecular FormulaC15H16F2N4O2
Molecular Weight322.32 g/mol
Exact Mass322.12
IUPAC Name3,5-difluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide
SMILESO=C(N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1c(F)cncc1F
InChIInChI=1S/C15H16F2N4O2/c16-10-5-19-6-11(17)14(10)15(23)20-12-3-9(4-13(12)22)7-21-2-1-18-8-21/h1-2,5-6,8-9,12-13,22H,3-4,7H2,(H,20,23)/t9?,12-,13-/m1/s1
InChIKeyPRYULHPBROKYEE-VFVWQQSLSA-N
XLogP1.13
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide
CID 154802873
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 146110168
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,3-oxazole-4-carboxamide
CID 146110207
2-(2-fluorophenoxy)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide
CID 166303406
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-5-phenyl-1H-pyrrole-3-carboxamide
CID 146110527
2-cyclopentyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyrazole-3-carboxamide
CID 166286230
5-fluoro-2-(furan-3-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]benzamide
CID 146110307
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-phenyl-1,3-oxazole-5-carboxamide
CID 146110347
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide
CID 146110281
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(4-imidazol-1-ylphenyl)acetamide
CID 146110372
3-benzyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]triazole-4-carboxamide
CID 146110319
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,8-naphthyridine-2-carboxamide
CID 146110346

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide?
The IUPAC name of 3,5-difluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide (CID 146110385) is 3,5-difluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide.
What is the SMILES notation for 3,5-difluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide?
The canonical SMILES for 3,5-difluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide is O=C(N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1c(F)cncc1F.
What is the InChIKey of 3,5-difluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide?
The InChIKey is PRYULHPBROKYEE-VFVWQQSLSA-N. The full InChI is InChI=1S/C15H16F2N4O2/c16-10-5-19-6-11(17)14(10)15(23)20-12-3-9(4-13(12)22)7-21-2-1-18-8-21/h1-2,5-6,8-9,12-13,22H,3-4,7H2,(H,20,23)/t9?,12-,13-/m1/s1.
What are the key properties of 3,5-difluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide?
3,5-difluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide has a molecular weight of 322.32 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide is sourced from PubChem (CID 146110385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).